2-[2-(3,5-dimethylpyrazol-1-yl)-5-ethyl-4-methyl-6-oxopyrimidin-1-yl]-N-propan-2-ylacetamide

C17H25N5O2 — CID 16835823

IUPAC2-[2-(3,5-dimethylpyrazol-1-yl)-5-ethyl-4-methyl-6-oxopyrimidin-1-yl]-N-propan-2-ylacetamide
SMILESCCc1c(C)nc(-n2nc(C)cc2C)n(CC(=O)NC(C)C)c1=O
InChIInChI=1S/C17H25N5O2/c1-7-14-13(6)19-17(22-12(5)8-11(4)20-22)21(16(14)24)9-15(23)18-10(2)3/h8,10H,7,9H2,1-6H3,(H,18,23)
InChIKeySWJIYZPUCRVWGW-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.44
Rot. Bonds5

About 2-[2-(3,5-dimethylpyrazol-1-yl)-5-ethyl-4-methyl-6-oxopyrimidin-1-yl]-N-propan-2-ylacetamide

2-[2-(3,5-dimethylpyrazol-1-yl)-5-ethyl-4-methyl-6-oxopyrimidin-1-yl]-N-propan-2-ylacetamide (PubChem CID 16835823) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-[2-(3,5-dimethylpyrazol-1-yl)-5-ethyl-4-methyl-6-oxopyrimidin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-(3,5-dimethylpyrazol-1-yl)-5-ethyl-4-methyl-6-oxopyrimidin-1-yl]-N-propan-2-ylacetamide
PubChem CID16835823
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name2-[2-(3,5-dimethylpyrazol-1-yl)-5-ethyl-4-methyl-6-oxopyrimidin-1-yl]-N-propan-2-ylacetamide
SMILESCCc1c(C)nc(-n2nc(C)cc2C)n(CC(=O)NC(C)C)c1=O
InChIInChI=1S/C17H25N5O2/c1-7-14-13(6)19-17(22-12(5)8-11(4)20-22)21(16(14)24)9-15(23)18-10(2)3/h8,10H,7,9H2,1-6H3,(H,18,23)
InChIKeySWJIYZPUCRVWGW-UHFFFAOYSA-N
XLogP1.44
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dimethylpyrazol-1-yl)-5-ethyl-4-methyl-6-oxopyrimidin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-(3,5-dimethylpyrazol-1-yl)-5-ethyl-4-methyl-6-oxopyrimidin-1-yl]-N-propan-2-ylacetamide (CID 16835823) is 2-[2-(3,5-dimethylpyrazol-1-yl)-5-ethyl-4-methyl-6-oxopyrimidin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-(3,5-dimethylpyrazol-1-yl)-5-ethyl-4-methyl-6-oxopyrimidin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-(3,5-dimethylpyrazol-1-yl)-5-ethyl-4-methyl-6-oxopyrimidin-1-yl]-N-propan-2-ylacetamide is CCc1c(C)nc(-n2nc(C)cc2C)n(CC(=O)NC(C)C)c1=O.
What is the InChIKey of 2-[2-(3,5-dimethylpyrazol-1-yl)-5-ethyl-4-methyl-6-oxopyrimidin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is SWJIYZPUCRVWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-7-14-13(6)19-17(22-12(5)8-11(4)20-22)21(16(14)24)9-15(23)18-10(2)3/h8,10H,7,9H2,1-6H3,(H,18,23).
What are the key properties of 2-[2-(3,5-dimethylpyrazol-1-yl)-5-ethyl-4-methyl-6-oxopyrimidin-1-yl]-N-propan-2-ylacetamide?
2-[2-(3,5-dimethylpyrazol-1-yl)-5-ethyl-4-methyl-6-oxopyrimidin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 331.42 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dimethylpyrazol-1-yl)-5-ethyl-4-methyl-6-oxopyrimidin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 16835823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).